CID 22406487

Tert-butyl n-(4-sulfanylbutyl)carbamate

Structural Information

Molecular Formula

C₉H₁₉NO₂S

SMILES

CC(C)(C)OC(=O)NCCCCS

InChI

InChI=1S/C9H19NO2S/c1-9(2,3)12-8(11)10-6-4-5-7-13/h13H,4-7H2,1-3H3,(H,10,11)

InChIKey

PQQDXPZRVKVGDZ-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-sulfanylbutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 205.11365 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.12093	150.1
[M+Na]+	228.10287	157.5
[M+NH4]+	223.14747	157.0
[M+K]+	244.07681	151.2
[M-H]-	204.10637	148.8
[M+Na-2H]-	226.08832	151.6
[M]+	205.11310	151.0
[M]-	205.11420	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe